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GLASS

You can:

Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
Go to the GPCR page and check other ligands which interact with it.
Go to the ligand page and check other GPCRs which it interacts with.
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GPCR

Name	5-hydroxytryptamine receptor 2A
Species	Canis lupus familiaris (Dog)
Gene	HTR2A
Synonym	5-HT-2 5-HT-2A 5-hydroxytryptamine receptor Serotonin receptor 2A
Disease	N/A for non-human GPCRs
Length	470
Amino acid sequence	MDVLFEDNAPLSPTTSSLMPSNGDPRLYGNDLNAGDANTSDAFNWTVDAENRTNLSCEGCLSPPCFSLLHLQEKNWSALLTAVVIILTIAGNILVIMAVSLEKKLQNATNYFLMSLAIADMLLGFLVMPVSMLTILYGYRWPLPSKLCAVWIYLDVLFSTASIMHLCAISLDRYVAIQNPIHHSRFNSRTKAFLKIIAVWTISVGISMPIPVFGLQDDSKVFKEGSCLLADDNFVLIGSFVSFFIPLTIMVITYFLTIKSLQKEATLCVSDPGTRAKLASFSFLPQSSLSSEKLFQRSIHREPGSYGRRTMQSISNEQKACKVLGIVFFLFVVMWCPFFITNIMAVICKESCNEDIIGALLNVFVWIGYLSSAVNPLVYTLFNKTYRSAFSRYIQCQYKENKKPLQLILVNTIPALAYKSSQLQMGQKKNSKKDAKSTDNDYSMVALGKQHSEDAPTDNINTVNEKVSCV
UniProt	O46635
Protein Data Bank	N/A
GPCR-HGmod model	N/A
3D structure model	No available structures or models
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL5781
IUPHAR	N/A
DrugBank	N/A

Ligand

Name	2-benzyl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepine
Molecular formula	C15H17N3
IUPAC name	2-benzyl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepine
Molecular weight	239.322
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	2.1
Synonyms	AKOS027383987 PHA-181731A 1065110-62-4 CHEMBL1770373 PNU-57378 ZINC68150324 5-HT 2 agonists, Pharmacia NCGC00485021-01 BDBM50342538 PHA-670080 PNU-57378E CZWQBSKNHUVZLI-UHFFFAOYSA-N PF-3246799 PNU-181731A SCHEMBL1620274 2-benzyl-6,7,8,9-tetrahydro-5H-pyrimido[5,4-d]azepine D02YNH [ Show all ]
Inchi Key	CZWQBSKNHUVZLI-UHFFFAOYSA-N
Inchi ID	InChI=1S/C15H17N3/c1-2-4-12(5-3-1)10-15-17-11-13-6-8-16-9-7-14(13)18-15/h1-5,11,16H,6-10H2
PubChem CID	25070582
ChEMBL	CHEMBL1770373
IUPHAR	N/A
BindingDB	50342538
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
EC50	3400.0 nM	PMID24878222, PMID21195614	BindingDB,ChEMBL
Emax	51.0 %	PMID21195614, PMID24878222	ChEMBL

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